[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C18H15ClN2O7 MolecularWeight: 406.7739

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)O

InChI

InChI=1S/C18H15ClN2O7/c1-27-16-8-11(2-6-15(16)22)3-7-18(24)28-10-17(23)20-14-9-12(21(25)26)4-5-13(14)19/h2-9,22H,10H2,1H3,(H,20,23)